In the title mol-ecular salt, C26H24N3S+?Br-, the dihedral angles between the thia-zole ring and its attached phenyl and benzoyl rings are 54.81?(7) and 85.51?(7)°, respectively. In the crystal, ion pairs are linked by C-H?Br and N-H?Br hydrogen bonds and are connected into helical chains extending along the c-axis direction by weak, electrostatic S?Br- inter-actions. A Hirshfeld surface analysis was performed, which showed the dominant role of H?H contacts (51.3%).The title compound, bis-(N,N-diallyl-5-meth-oxy-tryptammonium) (5-MeO-DALT) fumarate (systematic name bis-N-[2-(5-meth-oxy-1H-indol-3-yl)eth-yl]- N-(prop-2-en-1-yl)prop-2-en-1-aminium (E)-but-2-enedioate), 2C17H23N2O+?C4H2O4 2-, has a single tryptammonium cation and half of a fumarate dianion in the asymmetric unit. The tryptammonium and fumarate ions are held together in one-dimensional chains by a series of N-H?O hydrogen bonds. These chains are combinations of R 4 4(22) rings, and C 2 2(14) and C 4 4(28) parallel chains along [111].The reaction of copper(II) sulfatepentahydrate with 2-nitro-benzoic acid and N,N,N',N'-tetra-methyl-ethylenedi-amine (TMEDA) in basic solution produces the complex bis-(2-nitro-benzoato-κO)(N,N,N',N'-tetra-methyl-ethylenedi-amine-κ2 N,N')copper(II), [Cu(C7H4NO4)2(C6H16N2)] or [Cu(2-nitro-benzoate)2(tmeda)]. Each carboxyl-ate group of the 2-nitro-benzoate ligand is coordinated by CuII atom in a monodentate fashion and two TMEDA ligand nitro-gen atoms are coordinate by the metal center, giving rise to a distorted square-planar coordination environment. In the crystal, metal complexes are linked by centrosymmetric C-H?O hydrogen bonds, forming ribbons via a R 2 2(10) ring motif. These ribbons are linked by further C-H?O hydrogen bonds, leading to two-dimensional hydrogen-bonded arrays parallel to the bc plane. Weak π-π stacking inter-actions provide additional stabilization of the crystal structure. Hirshfeld surface analysis, dnorm and two-dimensional fingerprint plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure. The major inter-actions of the complex are O?H/H?O (44.9%), H?H (34%) and C?H (14.5%).The quaternary A 2W3SeO12 (A = NH4, Cs, Rb, K or Tl) selenites have been prepared in the form of single crystals by hydro-thermal and novel solid-state reactions. They were characterized by X-ray diffraction, thermal and spectroscopic studies. All of them have a hexa-gonal tungsten oxide (HTO) related [W3SeO12]2- anionic framework with pyramidally coordinated Se4+ ions. The known A 2W3SeO12 (A = NH4, Cs or Rb) compounds are isostructural with the Cs2W3TeO12 compound and have a non-centrosymmetric layered structure containing intra-layer Se-O bonds. The new compound K2W3SeO12(α) is isostructural with the K2W3TeO12 compound and has a centrosymmetric three-dimensional structure containing inter-layer Se-O bonds. It is inferred that the new Tl2W3SeO12 compound has the same three-dimensional structure as K2W3SeO12(α).Pigment Red 52, Na2[C18H11ClN2O6S], is an industrially produced hydrazone-laked pigment. It serves as an inter-mediate in the synthesis of the corresponding Ca2+ and Mn2+ salts, which are used commercially for printing inks and lacquers. Hitherto, no crystal structure of any salt of Pigment Red 52 is known. Now, single crystals have been obtained of a dimethyl sulfoxide solvate hydrate of the monosodium salt of Pigment Red 52, namely, monosodium 2-[2-(3-carb-oxy-2-oxo-1,2-di-hydro-naphthalen-1-yl-idene)hydrazin-1-yl]-5-chloro-4-methyl-benz-ene-sulfonate dimethyl sulfoxide monosolvate monohydrate, Na+?C18H12ClN2O6S-?H2O?C2H6OS, obtained from in-house synthesized Pigment Red 52. The crystal structure was determined by single-crystal X-ray diffraction at 173?K. In this monosodium salt, the SO3 - group is deprotonated, whereas the COOH group is protonated. The residues form chains via ionic inter-actions and hydrogen bonds. The chains are arranged in polar/non-polar double layers.In the title mol-ecule, C13H13N3O, the isoxazole ring is inclined to the benzimidazole ring at a dihedral angle of 69.28?(14)°. In the crystal, N-H?N hydrogen bonds between neighboring benzimidazole rings form chains along the a-axis direction. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H?H (48.8%), H?C/C?H (20.9%) and H?N/N?H (19.3%) inter-actions. The optimized structure calculated using density functional theory at the B3LYP/6-311?G(d,p) level is compared with the experimentally determined structure in the solid state. The calculated highest occupied mol-ecular orbital (HOMO) and lowest unoccupied mol-ecular orbital (LUMO) energy gap is 4.9266?eV.The title compound, C5D6ClN2O+?Cl-, crystallizes in the ortho-rhom-bic space group, Pbcm, and consists of a 4-chloro-2-methyl-6-oxo-3,6-di-hydro-pyrimidin-1-ium cation and a chloride anion where both moieties lie on a crystallographic mirror. The cation is disordered and was refined as two equivalent forms with occupancies of 0.750?(4)/0.250?(4), while the chloride anion is triply disordered with occupancies of 0.774?(12), 0.12?(2), and 0.11?(2). https://www.selleckchem.com/products/resiquimod.html Unusually, the bond angles around the C=O unit range from 127.2?(6) to 115.2?(3)° and similar angles have been found in other structures containing a 6-oxo-3,6-di-hydro-pyrimidin-1-ium cation, including the monclinic polymorph of the title compound, which crystallizes in the monoclinic space group P21/c [Kawai et al. (1973 ?). Cryst. Struct. Comm. 2, 663-666]. The cations and anions pack into sheets in the ab plane linked by N-H?Cl hydrogen bonds as well as C-H?O and Cl?O inter-actions. In graph-set notation, these form R 3 3(11) and R 3 2(9) rings. Theoretical calculations seem to indicate that the reason for the unusual angles at the sp 2 C is the electrostatic inter-action between the oxygen atom and the adjacent N-H hydrogen.New syntheses have been developed for the synthesis of (borohydrido-κ3 H)tris-[η5-(tri-methyl-sil-yl)cyclo-penta-dien-yl]uranium(IV), [U(BH4)(C8H13Si)3] or Cp'3U(BH4) (Cp' = C5H4SiMe3) and its structure has been determined by single-crystal X-ray crystallography. This compound crystallized in the space group P and the structure features three η 5-coordinated Cp' rings and a κ 3-coordinated (BH4)- ligand.